N-(4-Chlorobenzoyl)-β-alanine
3042
Reference
N-(4-Chlorobenzoyl)-β-alanine Structure
Systematic / IUPAC Name: 3-[(4-Chlorobenzoyl)amino] propanoic acid
ID: Reference3042
Other Names:
N-[(4-Chlorophenyl)carbonyl]-β-alanine;
3-[(4-chlorophenyl)formamido]propanoic acid
Formula: C10H10ClNO3
Spectral Data
N-(4-Chlorobenzoyl)-β-alanine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 116 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 9/28/2015 7:49:45 AM |
Identificators
| InChI | InChI=1S/C10H10ClNO3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14) |
| InChI Key | ZCGLNFAUVVHTQO-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=CC=C1C(=O)NCCC(=O)O)Cl |
| CAS | |
| Splash | |
| Other Names |
N-[(4-Chlorophenyl)carbonyl]-β-alanine; 3-[(4-chlorophenyl)formamido]propanoic acid |